2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide

C23H24N2O3 — CID 90596103

IUPAC2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1
InChIInChI=1S/C23H24N2O3/c1-17(2)19-9-11-20(12-10-19)27-16-22(26)25-15-18-6-5-7-21(14-18)28-23-8-3-4-13-24-23/h3-14,17H,15-16H2,1-2H3,(H,25,26)
InChIKeyIBBWJIUQMPJNQG-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.69
Rot. Bonds8

About 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide

2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide (PubChem CID 90596103) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
PubChem CID90596103
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)c1ccc(OCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1
InChIInChI=1S/C23H24N2O3/c1-17(2)19-9-11-20(12-10-19)27-16-22(26)25-15-18-6-5-7-21(14-18)28-23-8-3-4-13-24-23/h3-14,17H,15-16H2,1-2H3,(H,25,26)
InChIKeyIBBWJIUQMPJNQG-UHFFFAOYSA-N
XLogP4.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
N-[(3-ethoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 30384331
4-propan-2-yl-N-[(3-pyridin-2-yloxyphenyl)methyl]benzenesulfonamide
CID 90596408
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596216
2-[3-[[3-(4-propan-2-ylphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 119246779
N-[(6-methyl-2-pyridinyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 87041581
N-benzyl-4-oxo-4-[2-[2-(4-propan-2-ylphenoxy)acetyl]hydrazinyl]butanamide
CID 4513811
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide (CID 90596103) is 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide is CC(C)c1ccc(OCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
The InChIKey is IBBWJIUQMPJNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-17(2)19-9-11-20(12-10-19)27-16-22(26)25-15-18-6-5-7-21(14-18)28-23-8-3-4-13-24-23/h3-14,17H,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide?
2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide has a molecular weight of 376.46 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenoxy)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 90596103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).